(Q27286934)

Cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

chemical formula

C₆₄H₁₁₅NO₅

1 reference

Cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCC(=O)NC(CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

1 reference

Cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

1 reference

Cholesteryl/octyldodecyl lauroyl glutamate (English)

InChI=1S/C64H115NO5/c1-9-12-15-18-21-23-25-28-31-37-60(66)65-59(42-43-61(67)69-49-52(35-29-26-20-17-14-11-3)36-30-27-24-22-19-16-13-10-2)62(68)70-54-44-46-63(7)53(48-54)38-39-55-57-41-40-56(51(6)34-32-33-50(4)5)64(57,8)47-45-58(55)63/h38,50-52,54-59H,9-37,39-49H2,1-8H3,(H,65,66)/t51-,52?,54+,55+,56-,57+,58+,59+,63+,64-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Cholesteryl/octyldodecyl lauroyl glutamate (English)

NMMPOVJVXNXRRN-IRUJCTRMSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

1 reference

UNII

Q2SU6H209C

cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

1 reference

1-[(3beta,20R)-Cholest-5-en-3-yl] 5-(2-octyldodecyl) N-dodecanoylglutamate (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

Cholesteryl/octyldodecyl lauroyl glutamate (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

Q2SU6H209C

cholesteryl/octyldodecyl lauroyl glutamate (English)